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CS-W001157 4
Total: USD 88.00

1-((3aS,6R,7aR)-8,8-Dimethyl-2,2-dioxidotetrahydro-3H-3a,6-methanobenzo[c]isothiazol-1(4H)-yl)propan-1-one

  • CAS No. 125664-95-1

  • Cat. No. CS-0166793
  • Molecule weight271.38
  • Purity≥95%
  • MDL No.MFCD00269689

*For research and further manufacturing use only, not for direct human use.

1-((3aS,6R,7aR)-8,8-Dimethyl-2,2-dioxidotetrahydro-3H-3a,6-methanobenzo[c]isothiazol-1(4H)-yl)propan-1-one|CS-0166793

Structure of 125664-95-1

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General Information

  • CAS No. 125664-95-1
  • Cat. No. CS-0166793
  • Purity ≥95%
  • MDL No. MFCD00269689
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₃H₂₁NO₃S
  • Molecular Weight 271.38
  • Synonym(s) N-Propionyl-(2R)-bornane-10,2-sultam
  • SMILES CCC(N([C@@]1([H])[C@@]23CC[C@@]([H])(C3(C)C)C1)S(C2)(=O)=O)=O

Synthesis

  • Route1

    References

    • Organic and Biomolecular Chemistry, , vol. 11, # 39 p. 6829 - 6840
  • Route2

    References

    • Journal of Organic Chemistry, , vol. 60, # 7 p. 2271 - 2273
  • Route3
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      125664-99-5
    • ~%
    • 1-((3aS,6R,7aR)-8,8-Dimethyl-2,2-dioxidotetrahydro-3H-3a,6-methanobenzo[c]isothiazol-1(4H)-yl)propan-1-one|CS-0166793
      125664-95-1

    References

    • Journal of the American Chemical Society, , vol. 112, # 7 p. 2767 - 2772

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501

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Computational Chemistry Data

  • TPSA   54.45
  • LogP   1.7633
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   1

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